Molecule

ID:79833

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₆N₄O₈
Molecular Mass
498.48524
Exact Mass
498.17506381
Charge
0
InChI
InChI=1S/C24H26N4O8/c1-2-3-4-5-6-7-8-9-10-25-24(30)19-13-15(26(31)32)11-17-21(19)22-18(23(17)29)12-16(27(33)34)14-20(22)28(35)36/h11-14H,2-10H2,1H3,(H,25,30)
InChIKey
ACQICLLOXWZGSI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCNC(=O)c1cc(cc2c1c1c(C2=O)cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(cc2c1c1c(cc(cc1C2=O)[N+](=O)[O-])C(=O)NCCCCCCCCCC)[N+](=O)[O-])[O-]
Calculated Properties
JChem
Acid pKa
13.788795
H Acceptors
8
H Donor
1
LogD (pH = 5.5)
5.992158
LogD (pH = 7.4)
5.992158
Log P
5.9921584
Molar Refractivity
133.1405
Polarizability
49.541203
Polar Surface Area
183.63
Rotatable Bonds
13
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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